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131301-11-6 | Acetic acid, 2,2,2-trichloro-, 1-(2-methylpropoxy)ethyl ester
CAS No: 131301-11-6 Catalog No: AG000VW7 MDL No:
Product Description
Catalog Number:
AG000VW7
Chemical Name:
Acetic acid, 2,2,2-trichloro-, 1-(2-methylpropoxy)ethyl ester
CAS Number:
131301-11-6
Molecular Formula:
C8H13Cl3O3
Molecular Weight:
263.5460
IUPAC Name:
1-(2-methylpropoxy)ethyl 2,2,2-trichloroacetate
InChI:
InChI=1S/C8H13Cl3O3/c1-5(2)4-13-6(3)14-7(12)8(9,10)11/h5-6H,4H2,1-3H3
InChI Key:
IOSKKCDKIDKHBG-UHFFFAOYSA-N
SMILES:
CC(COC(OC(=O)C(Cl)(Cl)Cl)C)C
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.993g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.539g/mol
Monoisotopic Mass:
261.993g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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